1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine

C74H60N4 — CID 88673327

IUPAC1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3cccc(N(c4ccc5c(c4)c4cc(C(C)(C)C)ccc4n5-c4cccc5ccccc45)c4cccc5ccccc45)c3)ccc1n2-c1cccc2ccccc12
InChIInChI=1S/C74H60N4/c1-73(2,3)52-36-40-69-62(44-52)64-47-57(38-42-71(64)77(69)67-34-17-24-50-21-11-14-31-60(50)67)75(54-26-8-7-9-27-54)55-28-19-29-56(46-55)76(66-33-16-23-49-20-10-13-30-59(49)66)58-39-43-72-65(48-58)63-45-53(74(4,5)6)37-41-70(63)78(72)68-35-18-25-51-22-12-15-32-61(51)68/h7-48H,1-6H3
InChIKeyYQFPCRYLKUODMM-UHFFFAOYSA-N
MW1005.32 g/mol
LogP20.88
Rot. Bonds8

About 1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine

1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine (PubChem CID 88673327) has the molecular formula C74H60N4 and a molecular weight of 1005.32 g/mol. Its IUPAC name is 1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
PubChem CID88673327
Molecular FormulaC74H60N4
Molecular Weight1005.32 g/mol
Exact Mass1004.48
IUPAC Name1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3cccc(N(c4ccc5c(c4)c4cc(C(C)(C)C)ccc4n5-c4cccc5ccccc45)c4cccc5ccccc45)c3)ccc1n2-c1cccc2ccccc12
InChIInChI=1S/C74H60N4/c1-73(2,3)52-36-40-69-62(44-52)64-47-57(38-42-71(64)77(69)67-34-17-24-50-21-11-14-31-60(50)67)75(54-26-8-7-9-27-54)55-28-19-29-56(46-55)76(66-33-16-23-49-20-10-13-30-59(49)66)58-39-43-72-65(48-58)63-45-53(74(4,5)6)37-41-70(63)78(72)68-35-18-25-51-22-12-15-32-61(51)68/h7-48H,1-6H3
InChIKeyYQFPCRYLKUODMM-UHFFFAOYSA-N
XLogP20.88
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.32
LogP ≤ 520.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N,5-N-tris(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine;1-N,3-N,5-N-tris(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine;1-N,3-N,5-N-tris(6,9-diphenylcarbazol-3-yl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine;1-N,3-N,5-N-tris(6,9-diphenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 159071607
1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine
CID 59816073
3-N,6-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-3-N,6-N-dinaphthalen-1-yl-9-phenylcarbazole-3,6-diamine
CID 59132897
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494
6-tert-butyl-N-(9-naphthalen-2-ylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;6-tert-butyl-N-naphthalen-1-yl-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;6-tert-butyl-N-naphthalen-2-yl-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;6-tert-butyl-9-naphthalen-1-yl-N-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;6-tert-butyl-9-naphthalen-2-yl-N-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;6-tert-butyl-N-phenyl-N-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazol-3-amine
CID 159911430
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-tris(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 158550618
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine
CID 58273929
9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine
CID 58827498
9-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-amine
CID 59260051
9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 146539723

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine (CID 88673327) is 1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine is CC(C)(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3cccc(N(c4ccc5c(c4)c4cc(C(C)(C)C)ccc4n5-c4cccc5ccccc45)c4cccc5ccccc45)c3)ccc1n2-c1cccc2ccccc12.
What is the InChIKey of 1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine?
The InChIKey is YQFPCRYLKUODMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H60N4/c1-73(2,3)52-36-40-69-62(44-52)64-47-57(38-42-71(64)77(69)67-34-17-24-50-21-11-14-31-60(50)67)75(54-26-8-7-9-27-54)55-28-19-29-56(46-55)76(66-33-16-23-49-20-10-13-30-59(49)66)58-39-43-72-65(48-58)63-45-53(74(4,5)6)37-41-70(63)78(72)68-35-18-25-51-22-12-15-32-61(51)68/h7-48H,1-6H3.
What are the key properties of 1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine?
1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine has a molecular weight of 1005.32 g/mol, XLogP of 20.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 88673327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).